(Trimethylsilyl)methyl Trifluoromethanesulfonate [Trimethylsilylmethylating Reagent] - ≥98% , CAS No.64035-64-9

CAS: 64035-64-9 Cat. No.: T162339 Peso molecular: 236.28 Beilstein Registry Number: 2365810 Número EC: 628-446-7 PubChem CID: 2760857

GRADE & PURITY ≥98%

Synonyms

Trimethylsilylmethyltrifluoromethanesulfonate | (Trimethylsilyl)methyl Triflate | trimethylsilylmethyl trifluoromethanesulfonate | FS-4689 | Methanesulfonic acid, trifluoro-, (trimethylsilyl)methyl ester | Trifluoromethanesulfonic Acid (Trimethylsilyl)met

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Trimethylsilylmethyltrifluoromethanesulfonate | (Trimethylsilyl)methyl Triflate | trimethylsilylmethyl trifluoromethanesulfonate | FS-4689 | Methanesulfonic acid, trifluoro-, (trimethylsilyl)methyl ester | Trifluoromethanesulfonic Acid (Trimethylsilyl)met

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761585
• Sonrisas canónicas: C[Si](C)(C)COS(=O)(=O)C(F)(F)F
• IUPAC Name: trimethylsilylmethyl trifluoromethanesulfonate
• InChIKey: VMDMAAJZSXXCQV-UHFFFAOYSA-N
• INCHI: 1S/C5H11F3O3SSi/c1-13(2,3)4-11-12(9,10)5(6,7)8/h4H2,1-3H3
• Isómeros SMILES: C[Si](C)(C)COS(=O)(=O)C(F)(F)F
• WGK Alemania: 3
• PubChem CID: 2760857
• Peso molecular: 236.28
• Beilstein: 2365810
• Reaxy-Rn: 2365813

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organic metalloid salts Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkylsilanes Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Trihalomethane - Organic metalloid salt - Alkyl fluoride - Organic salt - Organosilicon compound - Alkylsilane - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.38
• Punto de inflamación (°F): 118.4 °F
• Punto de inflamación (°C): 48°C(lit.)
• Punto de ebullición (°C): 168°C(lit.)
• Peso molecular: 236.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 236.015 Da
• Monoisotopic Mass: 236.015 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 258.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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